CID 135606020

2-(n-((anilinocarbonyl)oxy)dodecanimidoyl)-1-hydroxy-4-methylbenzene

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CCCCCCCCCCC/C(=N\OC(=O)NC1=CC=CC=C1)/C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C26H36N2O3/c1-3-4-5-6-7-8-9-10-14-17-24(23-20-21(2)18-19-25(23)29)28-31-26(30)27-22-15-12-11-13-16-22/h11-13,15-16,18-20,29H,3-10,14,17H2,1-2H3,(H,27,30)/b28-24+
InChIKey
HPKJNPMFDFIEFI-ZZIIXHQDSA-N
Compound name
[(E)-1-(2-hydroxy-5-methylphenyl)dodecylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.27258 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 210.2
[M+Na]+ 447.26180 211.4
[M-H]- 423.26530 214.9
[M+NH4]+ 442.30640 219.2
[M+K]+ 463.23574 206.6
[M+H-H2O]+ 407.26984 199.7
[M+HCOO]- 469.27078 231.4
[M+CH3COO]- 483.28643 234.3
[M+Na-2H]- 445.24725 208.8
[M]+ 424.27203 214.1
[M]- 424.27313 214.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.